4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol

C14H19N3O2 — CID 102804235

IUPAC4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2cn(C)nc2C)ccc1O
InChIInChI=1S/C14H19N3O2/c1-9(15-12-8-17(3)16-10(12)2)11-5-6-13(18)14(7-11)19-4/h5-9,15,18H,1-4H3
InChIKeyRTPJNCDTILNHNZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.62
Rot. Bonds4

About 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol

4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol (PubChem CID 102804235) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol
PubChem CID102804235
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2cn(C)nc2C)ccc1O
InChIInChI=1S/C14H19N3O2/c1-9(15-12-8-17(3)16-10(12)2)11-5-6-13(18)14(7-11)19-4/h5-9,15,18H,1-4H3
InChIKeyRTPJNCDTILNHNZ-UHFFFAOYSA-N
XLogP2.62
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-4-methoxyphenol
CID 104955923
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
CID 43193429
3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741825
N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine
CID 104952489
4-[1-(3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 43195420
4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol
CID 163482577
4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
CID 43124744
4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
CID 83166530
3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine
CID 103932487
1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine
CID 104955918
4-[1-(5-bromo-4-fluoro-2-methylanilino)ethyl]-2-methoxyphenol
CID 107591502

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol (CID 102804235) is 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol is COc1cc(C(C)Nc2cn(C)nc2C)ccc1O.
What is the InChIKey of 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol?
The InChIKey is RTPJNCDTILNHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(15-12-8-17(3)16-10(12)2)11-5-6-13(18)14(7-11)19-4/h5-9,15,18H,1-4H3.
What are the key properties of 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol?
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol has a molecular weight of 261.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol is sourced from PubChem (CID 102804235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).